Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | ACHE | P22303 | 1/20 | 0.35 |
| ▸ | FPR2 | P25090 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | BACE1 | P56817 | 3/20 | 0.35 |
| ▸ | CTSD | P07339 | 1/20 | 0.35 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.34 |
| ▸ | WDR77 | Q9BQA1 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | MITF | O75030 | 1/20 | 0.33 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.33 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL13722710 | 0.90 | ALDH1A1 (0.36) | ALDH1A1MAPTFPR2BACE1CTSD | |
| SCHEMBL12502540 | 0.90 | FPR2 (0.38) | ACHEFPR2BACE1CTSDPRMT5 | |
| SCHEMBL7510378 | 0.85 | ALDH1A1 (0.40) | ALDH1A1MAPTCYP3A4CYP2C9PKM | |
| SCHEMBL10305479 | 0.79 | BACE1 (0.41) | ALDH1A1MAPTSMN1; SMN2BACE1CTSD | |
| SCHEMBL7512656 | 0.76 | ALDH1A1 (0.46) | ALDH1A1SMN1; SMN2POLBRAB9ABACE1 | |
| SCHEMBL7599589 | 0.76 | BACE1 (0.44) | BACE1CTSDPRMT5WDR77 | |
| SCHEMBL10305529 | 0.76 | BACE1 (0.44) | BACE1CTSDPRMT5WDR77 | |
| SCHEMBL7517897 | 0.75 | BACE1 (0.37) | ALDH1A1MAPTRAB9ABACE1CTSD | |
| SCHEMBL7510783 | 0.75 | BACE1 (0.37) | BACE1CTSDPRMT5WDR77 | |
| SCHEMBL7512596 | 0.74 | NPSR1 (0.41) | ALDH1A1MAPTSMN1; SMN2BACE1CTSD |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1838304-B1 | HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS | SCHERING CORP (US) | 2009-08-19 | — | — | EP | disclosed |